SCHEMBL13627449

SCHEMBL13627449

O=C(O)c1ccc(Sc2ccccc2)cc1Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
APEX1 P27695 1/20 0.46
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL522901 0.85 KDM4E (0.61) SIRT1ALDH1A1HPGDPOLBKDM4E
SCHEMBL7024783 0.84 KDM4E (0.54) SIRT1ALDH1A1HPGDPOLBKDM4E
SCHEMBL10597129 0.82 ALDH1A1 (0.47) SIRT1ALDH1A1POLBKDM4EMEN1
SCHEMBL5798490 0.82 TSHR (0.52) SIRT1ALDH1A1POLBMEN1KMT2A
SCHEMBL490294 0.82 MEN1 (0.48) SIRT1ALDH1A1POLBKDM4EMEN1
SCHEMBL9323438 0.82 HSD17B10 (0.48) SIRT1ALDH1A1HPGDPOLBKDM4E
SCHEMBL7195291 0.81 HNF4A (0.55) ALDH1A1HPGDPOLBKDM4EAPEX1
SCHEMBL231042 0.80 SIRT1 (0.71) SIRT1ALDH1A1HPGDPOLBKDM4E
SCHEMBL8108703 0.78 ALDH1A1 (0.53) SIRT1ALDH1A1HPGDPOLBKDM4E
SCHEMBL22336405 0.78 APEX1 (0.67) ALDH1A1HPGDPOLBKDM4EAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 SIRT1 1414/4885ALDH1A1 703/4885HPGD 428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.